chempirical

2-Chloro-3,6-difluorobenzoic acid

C7H3ClF2O2CAS 287172-74-1192.55 g/mol

Open in Covalent MOL file
FOOHClF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H3ClF2O2
Molar mass
192.55 g/mol
Exact mass
191.9790 Da
logP
2.32Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
287172-74-1
SMILES
C1=CC(=C(C(=C1F)C(=O)O)Cl)F
InChIKey
COWJYTLVSFKOPM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-3,6-difluorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-3-fluorobenzoic acid178813-78-077 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-473 % similar 2,6-Difluorobenzoic acid385-00-266 % similar 2,3,6-Trifluorobenzoic acid2358-29-461 % similar 2-Chloro-3-fluorobenzoic acid102940-86-361 % similar 2-Chloro-6-fluorobenzoic acid434-75-361 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-959 % similar 3-Fluorophthalic acid1583-67-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-4,5-difluorobenzoic acid110877-64-0 5-Chloro-2,4-difluorobenzoic acid130025-33-1 4-Chloro-2,5-difluorobenzoic acid132794-07-1 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,4-difluorobenzoic acid154257-75-7 3-Chloro-2,6-difluorobenzoic acid225104-76-7

Elsewhere

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